SCHEMBL9575826

SCHEMBL9575826

CC(COc1ccc(O)cc1)Oc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.42
PTGS1 P23219 2/20 0.42
HIF1A Q16665 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
SLC6A3 Q01959 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
CYP2D6 P10635 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNH2 Q12809 1/20 0.40
CDK1 P06493 1/20 0.40
PTGS2 P35354 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9618194 0.88 LMNA (0.49) SLC6A2PTGS1CYP1A2CYP2C19SLC6A3
SCHEMBL21984678 0.87 POLB (0.41) CYP2C19MEN1KMT2AMAPK1POLB
Pyriproxyfen SCHEMBL26721 0.85 LTA4H (0.45) PTGS1LMNAPTGS2POLBMAPT
Pyriproxyfen SCHEMBL29370858 0.85 LTA4H (0.45) PTGS1LMNAPTGS2POLBMAPT
Pyriproxyfen SCHEMBL8456790 0.85 LTA4H (0.45) PTGS1LMNAPTGS2POLBMAPT
Pyriproxyfen SCHEMBL4048811 0.85 LTA4H (0.45) PTGS1LMNAPTGS2POLBMAPT
Pyriproxyfen SCHEMBL2355621 0.85 LTA4H (0.45) PTGS1LMNAPTGS2POLBMAPT
Pyriproxyfen SCHEMBL28095441 0.84 HIF1A (0.42) SLC6A2PTGS1HIF1ACYP1A2CYP2C19
Pyriproxyfen SCHEMBL28444353 0.84 LTA4H (0.44) PTGS1LMNAPTGS2POLBMAPT
SCHEMBL9266415 0.84 GABRP (0.39) CYP1A2CYP2C19LMNACYP2D6PTGS2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0549441-A1 Juvenile hormone agents for systemically treating ectoparasites Virbac, Inc. (US) 1993-06-30 EP claimed
US-5221684-A Insecticides, nematocides, miticides BASF AKTIENGESELLSCHAFT (DE) 1993-06-22 US disclosed
EP-0486804-A2 Hydroquinonediethers, processes for their preparation, and their use in combatting pests BASF Aktiengesellschaft (DE) 1992-05-27 EP disclosed